N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide

C18H18N2O2S — CID 86968083

IUPACN-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2csc3ccccc23)ccn1
InChIInChI=1S/C18H18N2O2S/c1-3-22-17-10-13(8-9-19-17)18(21)20(2)11-14-12-23-16-7-5-4-6-15(14)16/h4-10,12H,3,11H2,1-2H3
InChIKeyMGONPRCEHVYOTD-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.97
Rot. Bonds5

About N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide

N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide (PubChem CID 86968083) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide
PubChem CID86968083
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2csc3ccccc23)ccn1
InChIInChI=1S/C18H18N2O2S/c1-3-22-17-10-13(8-9-19-17)18(21)20(2)11-14-12-23-16-7-5-4-6-15(14)16/h4-10,12H,3,11H2,1-2H3
InChIKeyMGONPRCEHVYOTD-UHFFFAOYSA-N
XLogP3.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 75414970
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CID 115166467
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
N-(1-benzothiophen-3-ylmethyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 86990633
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
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N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
CID 86990643
N-(1-benzothiophen-3-ylmethyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-methylbenzamide
CID 86990645
1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429
2-(2-aminoethyl)-N-(1-benzothiophen-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 120620568
4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120559866
N-(1-benzothiophen-3-ylmethyl)-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136545181
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide (CID 86968083) is N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide is CCOc1cc(C(=O)N(C)Cc2csc3ccccc23)ccn1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide?
The InChIKey is MGONPRCEHVYOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-22-17-10-13(8-9-19-17)18(21)20(2)11-14-12-23-16-7-5-4-6-15(14)16/h4-10,12H,3,11H2,1-2H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide?
N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-2-ethoxy-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 86968083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).